D272-0221 Screening compound: [(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D272-0221 Screening compound: [(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D272-0221 Screening compound: [(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0221
[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D272-0221

Molecular Formula

C19H22ClN5O2S (C19 H22 ClN5 O2 S)

Compound Name

[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OC

InChI

InChI=1S/C19H22ClN5O2S/c1-3-27-17-12-14(11-16(20)18(17)26-2)13-21-9-10-28-19-22-23-24-25(19)15-7-5-4-6-8-15/h4-8,11-12,21H,3,9-10,13H2,1-2H3

InChI Key

NOOPJUUNVCNBNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434450

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

419.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

0.055

Water Solubility, LogSw

-3.76

Polar Surface Area

66.695

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

10.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D272-0221 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D272-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0221?
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What is the minimum amount of D272-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0221
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D272-0221 available by request